[5-[5-[4-[1-(2-azanyl-5,7-dimethyl-4-oxidanylidene-1,6,7,8-tetrahydropteridin-6-yl)ethylamino]phenyl]-2,3,4-tris(oxidanyl)pentoxy]-3,4-bis(oxidanyl)oxolan-2-yl]methyl [1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl] phosphate

Systemtic Name: [5-[5-[4-[1-(2-azanyl-5,7-dimethyl-4-oxidanylidene-1,6,7,8-tetrahydropteridin-6-yl)ethylamino]phenyl]-2,3,4-tris(oxidanyl)pentoxy]-3,4-bis(oxidanyl)oxolan-2-yl]methyl [1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl] phosphate Openeye Name: [5-[5-[4-[1-(2-amino-5,7-dimethyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)ethylamino]phenyl]-2,3,4-trihydroxy-pentoxy]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (1-carboxy-4-hydroxy-4-oxo-butyl) phosphate CAS Name: [5-[5-[4-[1-(2-amino-5,7-dimethyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)ethylamino]phenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxy-2-oxolanyl]methyl (1,5-dihydroxy-1,5-dioxopentan-2-yl) phosphate IUPAC Name: [5-[5-[4-[1-(2-amino-5,7-dimethyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)ethylamino]phenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxyoxolan-2-yl]methyl (1,5-dihydroxy-1,5-dioxopentan-2-yl) phosphate Traditional Name: [5-[5-[4-[1-(2-amino-4-keto-5,7-dimethyl-1,6,7,8-tetrahydropteridin-6-yl)ethylamino]phenyl]-2,3,4-trihydroxy-pentoxy]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (1-carboxy-4-hydroxy-4-keto-butyl) phosphate Formula: C31H46N6O16P- MolecularWeight: 789.701301

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(C2=C(N1)NC(=NC2=O)N)C)C(C)NC3=CC=C(C=C3)CC(C(C(COC4C(C(C(O4)COP(=O)([O-])OC(CCC(=O)O)C(=O)O)O)O)O)O)O

Isomeric SMILES

CC1C(N(C2=C(N1)NC(=NC2=O)N)C)C(C)NC3=CC=C(C=C3)CC(C(C(COC4C(C(C(O4)COP(=O)([O-])OC(CCC(=O)O)C(=O)O)O)O)O)O)O

InChI

InChI=1S/C31H47N6O16P/c1-13(22-14(2)34-27-23(37(22)3)28(45)36-31(32)35-27)33-16-6-4-15(5-7-16)10-17(38)24(42)18(39)11-50-30-26(44)25(43)20(52-30)12-51-54(48,49)53-19(29(46)47)8-9-21(40)41/h4-7,13-14,17-20,22,24-26,30,33,38-39,42-44H,8-12H2,1-3H3,(H,40,41)(H,46,47)(H,48,49)(H4,32,34,35,36,45)/p-1